2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine

C276H278Cl4F4N54O16S3 — CID 159002534

IUPAC2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine
SMILESCC1=Cc2cc(Nc3ccnc(Nc4cc(O)c(Cl)cc4F)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(Cl)cc4F)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(F)c(Cl)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(F)cc4Cl)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(OCCO)cc4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc5c(c4)OCO5)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3nccc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2C1.CCCNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1
InChIInChI=1S/C28H33N5O.C27H32N6O3S.C27H31N5O.C24H27N5O.C24H26N4O3S.C23H25N5O2S.C22H22N4O2.C21H18N4O2.C20H16ClFN4O.3C20H16ClFN4/c1-20-15-23-5-6-26(18-24(23)16-20)30-27-7-11-29-28(32-27)31-25-4-2-3-22(17-25)19-33-12-8-21(9-13-33)10-14-34;1-20-16-21-6-7-24(18-22(21)17-20)29-26-8-9-28-27(31-26)30-23-4-3-5-25(19-23)36-15-14-32-10-12-33(13-11-32)37(2,34)35;1-19-13-22-5-6-25(16-23(22)14-19)29-26-7-10-28-27(31-26)30-24-4-2-3-21(15-24)17-32-11-8-20(18-33)9-12-32;1-17-13-18-7-8-21(15-19(18)14-17)26-23-9-10-25-24(28-23)27-20-5-4-6-22(16-20)30-12-11-29(2)3;1-17-13-18-7-8-21(15-19(18)14-17)27-24-25-10-9-23(28-24)26-20-5-3-6-22(16-20)31-11-4-12-32(2,29)30;1-3-10-25-31(29,30)21-6-4-5-19(15-21)27-23-24-11-9-22(28-23)26-20-8-7-17-12-16(2)13-18(17)14-20;1-15-12-16-2-3-19(14-17(16)13-15)24-21-8-9-23-22(26-21)25-18-4-6-20(7-5-18)28-11-10-27;1-13-8-14-2-3-16(10-15(14)9-13)23-20-6-7-22-21(25-20)24-17-4-5-18-19(11-17)27-12-26-18;1-11-6-12-2-3-14(8-13(12)7-11)24-19-4-5-23-20(26-19)25-17-10-18(27)15(21)9-16(17)22;1-12-8-13-2-4-16(10-14(13)9-12)24-19-6-7-23-20(26-19)25-18-5-3-15(22)11-17(18)21;1-12-8-13-2-4-16(10-14(13)9-12)24-19-6-7-23-20(26-19)25-18-5-3-15(21)11-17(18)22;1-12-8-13-2-3-15(10-14(13)9-12)24-19-6-7-23-20(26-19)25-16-4-5-18(22)17(21)11-16/h2-7,11,16-18,21,34H,8-10,12-15,19H2,1H3,(H2,29,30,31,32);3-9,17-19H,10-16H2,1-2H3,(H2,28,29,30,31);2-7,10,14-16,20,33H,8-9,11-13,17-18H2,1H3,(H2,28,29,30,31);4-10,14-16H,11-13H2,1-3H3,(H2,25,26,27,28);3,5-10,14-16H,4,11-13H2,1-2H3,(H2,25,26,27,28);4-9,11,13-15,25H,3,10,12H2,1-2H3,(H2,24,26,27,28);2-9,13-14,27H,10-12H2,1H3,(H2,23,24,25,26);2-7,9-11H,8,12H2,1H3,(H2,22,23,24,25);2-5,7-10,27H,6H2,1H3,(H2,23,24,25,26);3*2-7,9-11H,8H2,1H3,(H2,23,24,25,26)
InChIKeyJRMYUUCJQNCOTK-UHFFFAOYSA-N
MW4921.63 g/mol
LogP60.25
Rot. Bonds76

About 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine

2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine (PubChem CID 159002534) has the molecular formula C276H278Cl4F4N54O16S3 and a molecular weight of 4921.63 g/mol. Its IUPAC name is 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine
PubChem CID159002534
Molecular FormulaC276H278Cl4F4N54O16S3
Molecular Weight4921.63 g/mol
Exact Mass4916.05
IUPAC Name2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine
SMILESCC1=Cc2cc(Nc3ccnc(Nc4cc(O)c(Cl)cc4F)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(Cl)cc4F)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(F)c(Cl)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(F)cc4Cl)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(OCCO)cc4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc5c(c4)OCO5)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3nccc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2C1.CCCNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1
InChIInChI=1S/C28H33N5O.C27H32N6O3S.C27H31N5O.C24H27N5O.C24H26N4O3S.C23H25N5O2S.C22H22N4O2.C21H18N4O2.C20H16ClFN4O.3C20H16ClFN4/c1-20-15-23-5-6-26(18-24(23)16-20)30-27-7-11-29-28(32-27)31-25-4-2-3-22(17-25)19-33-12-8-21(9-13-33)10-14-34;1-20-16-21-6-7-24(18-22(21)17-20)29-26-8-9-28-27(31-26)30-23-4-3-5-25(19-23)36-15-14-32-10-12-33(13-11-32)37(2,34)35;1-19-13-22-5-6-25(16-23(22)14-19)29-26-7-10-28-27(31-26)30-24-4-2-3-21(15-24)17-32-11-8-20(18-33)9-12-32;1-17-13-18-7-8-21(15-19(18)14-17)26-23-9-10-25-24(28-23)27-20-5-4-6-22(16-20)30-12-11-29(2)3;1-17-13-18-7-8-21(15-19(18)14-17)27-24-25-10-9-23(28-24)26-20-5-3-6-22(16-20)31-11-4-12-32(2,29)30;1-3-10-25-31(29,30)21-6-4-5-19(15-21)27-23-24-11-9-22(28-23)26-20-8-7-17-12-16(2)13-18(17)14-20;1-15-12-16-2-3-19(14-17(16)13-15)24-21-8-9-23-22(26-21)25-18-4-6-20(7-5-18)28-11-10-27;1-13-8-14-2-3-16(10-15(14)9-13)23-20-6-7-22-21(25-20)24-17-4-5-18-19(11-17)27-12-26-18;1-11-6-12-2-3-14(8-13(12)7-11)24-19-4-5-23-20(26-19)25-17-10-18(27)15(21)9-16(17)22;1-12-8-13-2-4-16(10-14(13)9-12)24-19-6-7-23-20(26-19)25-18-5-3-15(22)11-17(18)21;1-12-8-13-2-4-16(10-14(13)9-12)24-19-6-7-23-20(26-19)25-18-5-3-15(21)11-17(18)22;1-12-8-13-2-3-15(10-14(13)9-12)24-19-6-7-23-20(26-19)25-16-4-5-18(22)17(21)11-16/h2-7,11,16-18,21,34H,8-10,12-15,19H2,1H3,(H2,29,30,31,32);3-9,17-19H,10-16H2,1-2H3,(H2,28,29,30,31);2-7,10,14-16,20,33H,8-9,11-13,17-18H2,1H3,(H2,28,29,30,31);4-10,14-16H,11-13H2,1-3H3,(H2,25,26,27,28);3,5-10,14-16H,4,11-13H2,1-2H3,(H2,25,26,27,28);4-9,11,13-15,25H,3,10,12H2,1-2H3,(H2,24,26,27,28);2-9,13-14,27H,10-12H2,1H3,(H2,23,24,25,26);2-7,9-11H,8,12H2,1H3,(H2,22,23,24,25);2-5,7-10,27H,6H2,1H3,(H2,23,24,25,26);3*2-7,9-11H,8H2,1H3,(H2,23,24,25,26)
InChIKeyJRMYUUCJQNCOTK-UHFFFAOYSA-N
XLogP60.25
TPSA865.03 Ų
H-Bond Donors29
H-Bond Acceptors68
Rotatable Bonds76
Heavy Atoms357
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004921.63
LogP ≤ 560.25
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1068

Analyze 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine with MolForge

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What is the IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine (CID 159002534) is 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine is CC1=Cc2cc(Nc3ccnc(Nc4cc(O)c(Cl)cc4F)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(Cl)cc4F)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(F)c(Cl)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(F)cc4Cl)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc(OCCO)cc4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4ccc5c(c4)OCO5)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CCO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(CN5CCC(CO)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN(C)C)c4)n3)ccc2C1.CC1=Cc2cc(Nc3ccnc(Nc4cccc(OCCN5CCN(S(C)(=O)=O)CC5)c4)n3)ccc2C1.CC1=Cc2cc(Nc3nccc(Nc4cccc(OCCCS(C)(=O)=O)c4)n3)ccc2C1.CCCNS(=O)(=O)c1cccc(Nc2nccc(Nc3ccc4c(c3)C=C(C)C4)n2)c1.
What is the InChIKey of 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine?
The InChIKey is JRMYUUCJQNCOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O.C27H32N6O3S.C27H31N5O.C24H27N5O.C24H26N4O3S.C23H25N5O2S.C22H22N4O2.C21H18N4O2.C20H16ClFN4O.3C20H16ClFN4/c1-20-15-23-5-6-26(18-24(23)16-20)30-27-7-11-29-28(32-27)31-25-4-2-3-22(17-25)19-33-12-8-21(9-13-33)10-14-34;1-20-16-21-6-7-24(18-22(21)17-20)29-26-8-9-28-27(31-26)30-23-4-3-5-25(19-23)36-15-14-32-10-12-33(13-11-32)37(2,34)35;1-19-13-22-5-6-25(16-23(22)14-19)29-26-7-10-28-27(31-26)30-24-4-2-3-21(15-24)17-32-11-8-20(18-33)9-12-32;1-17-13-18-7-8-21(15-19(18)14-17)26-23-9-10-25-24(28-23)27-20-5-4-6-22(16-20)30-12-11-29(2)3;1-17-13-18-7-8-21(15-19(18)14-17)27-24-25-10-9-23(28-24)26-20-5-3-6-22(16-20)31-11-4-12-32(2,29)30;1-3-10-25-31(29,30)21-6-4-5-19(15-21)27-23-24-11-9-22(28-23)26-20-8-7-17-12-16(2)13-18(17)14-20;1-15-12-16-2-3-19(14-17(16)13-15)24-21-8-9-23-22(26-21)25-18-4-6-20(7-5-18)28-11-10-27;1-13-8-14-2-3-16(10-15(14)9-13)23-20-6-7-22-21(25-20)24-17-4-5-18-19(11-17)27-12-26-18;1-11-6-12-2-3-14(8-13(12)7-11)24-19-4-5-23-20(26-19)25-17-10-18(27)15(21)9-16(17)22;1-12-8-13-2-4-16(10-14(13)9-12)24-19-6-7-23-20(26-19)25-18-5-3-15(22)11-17(18)21;1-12-8-13-2-4-16(10-14(13)9-12)24-19-6-7-23-20(26-19)25-18-5-3-15(21)11-17(18)22;1-12-8-13-2-3-15(10-14(13)9-12)24-19-6-7-23-20(26-19)25-16-4-5-18(22)17(21)11-16/h2-7,11,16-18,21,34H,8-10,12-15,19H2,1H3,(H2,29,30,31,32);3-9,17-19H,10-16H2,1-2H3,(H2,28,29,30,31);2-7,10,14-16,20,33H,8-9,11-13,17-18H2,1H3,(H2,28,29,30,31);4-10,14-16H,11-13H2,1-3H3,(H2,25,26,27,28);3,5-10,14-16H,4,11-13H2,1-2H3,(H2,25,26,27,28);4-9,11,13-15,25H,3,10,12H2,1-2H3,(H2,24,26,27,28);2-9,13-14,27H,10-12H2,1H3,(H2,23,24,25,26);2-7,9-11H,8,12H2,1H3,(H2,22,23,24,25);2-5,7-10,27H,6H2,1H3,(H2,23,24,25,26);3*2-7,9-11H,8H2,1H3,(H2,23,24,25,26).
What are the key properties of 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine?
2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine has a molecular weight of 4921.63 g/mol, XLogP of 60.25, 76 rotatable bonds, 29 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1,3-benzodioxol-5-yl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-chloro-4-fluoro-5-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenol;2-N-(2-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-(4-chloro-2-fluorophenyl)-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-N-[3-[2-(dimethylamino)ethoxy]phenyl]-4-N-(2-methyl-1H-inden-5-yl)pyrimidine-2,4-diamine;2-[4-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenoxy]ethanol;2-[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]ethanol;[1-[[3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]phenyl]methyl]piperidin-4-yl]methanol;3-[[4-[(2-methyl-1H-inden-5-yl)amino]pyrimidin-2-yl]amino]-N-propylbenzenesulfonamide;4-N-(2-methyl-1H-inden-5-yl)-2-N-[3-[2-(4-methylsulfonylpiperazin-1-yl)ethoxy]phenyl]pyrimidine-2,4-diamine;2-N-(2-methyl-1H-inden-5-yl)-4-N-[3-(3-methylsulfonylpropoxy)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159002534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).